Toluene → HCID 9889066, compound

HRID 2340296Notes

Reaction equation

HRID 2340296 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:12][c:13]2[NH2:14])[cH:7][cH:8]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cl:19][c:20]1[c:21]([N:27]=[C:28]=[O:29])[cH:22][cH:23][cH:24][c:25]1[Cl:26]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:12][c:13]2[NH:14][C:28]([NH:27][c:21]2[c:20]([Cl:19])[c:25]([Cl:26])[cH:24][cH:23][cH:22]2)=[O:29])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 330501,2-Dichloro-3-isocyanatobenzeneHCID 111393953-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine

Product 1

HCID 9889066HCID 9889066, compound

Sources & evidence

ORD record
ord-cc410bdc3bcd454695110217d048483e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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